Machine learning interatomic potential: Bridge the gap between small-scale models and realistic device-scale simulations

G Wang, C Wang, X Zhang, Z Li, J Zhou, Z Sun - Iscience, 2024 - cell.com
Summary Machine Learning Interatomic Potential (MLIP) overcomes the challenges of high
computational costs in density-functional theory and the relatively low accuracy in classical …

Non-volatile tunable optics by design: from chalcogenide phase-change materials to device structures

D Wang, L Zhao, S Yu, X Shen, JJ Wang, C Hu… - Materials Today, 2023 - Elsevier
Integration of chalcogenide phase-change materials (PCMs) with planar multilayer
structures, metasurfaces, waveguides and photonic integrated circuits has sparked …

Bismuth Vacancies Induced Lattice Strain in BiVO4 Photoanodes Boosting Charge Separation For Water Oxidation

B Liu, X Wang, Y Zhang, K Wan, L Xu… - Advanced Energy …, 2024 - Wiley Online Library
Photoelectrochemical (PEC) water splitting is a promising technology for green hydrogen
production. However, severe charge recombination in the photoelectrode materials is one of …

Fabrication and integration of photonic devices for phase-change memory and neuromorphic computing

W Zhou, X Shen, X Yang, J Wang… - International Journal of …, 2024 - iopscience.iop.org
In the past decade, there has been tremendous progress in integrating chalcogenide phase-
change materials (PCMs) on the silicon photonic platform for non-volatile memory to …

High-throughput screening to identify two-dimensional layered phase-change chalcogenides for embedded memory applications

S Sun, X Wang, Y Jiang, Y Lei, S Zhang… - npj Computational …, 2024 - nature.com
Chalcogenide phase-change materials (PCMs) are showing versatile possibilities in cutting-
edge applications, including non-volatile memory, neuromorphic computing, and nano …

Revealing the crystallization dynamics of Sb–Te phase change materials by large-scale simulations

K Li, B Liu, J Zhou, Z Sun - Journal of Materials Chemistry C, 2024 - pubs.rsc.org
Understanding the crystallization dynamics of chalcogenide phase-change materials
(PCMs) is crucial for optimizing their performance in data storage and neuromorphic …

Optical switching beyond a million cycles of low-loss phase change material Sb2Se3

D Lawson, S Blundell, M Ebert, OL Muskens… - Optical Materials …, 2023 - opg.optica.org
The development of the next generation of optical phase change technologies for integrated
photonic and free-space platforms relies on the availability of materials that can be switched …

A Complicated Route from Disorder to Order in Antimony–Tellurium Binary Phase Change Materials

Y Zheng, W Song, Z Song, Y Zhang, T **n… - Advanced …, 2024 - Wiley Online Library
The disorder‐to‐order (crystallization) process in phase‐change materials determines the
speed and storage polymorphism of phase‐change memory devices. Only by clarifying the …

Ab initio investigation of layered TMGeTe 3 alloys for phase-change applications

Y Jiang, S Sun, H Zhang, X Wang, Y Lei, R Mazzarello… - Nanoscale, 2025 - pubs.rsc.org
Chalcogenide phase-change materials (PCMs) are among the most mature candidates for
next-generation memory technology. Recently, CrGeTe3 (CrGT) emerged as a promising …

Full-cycle device-scale simulations of memory materials with a tailored atomic-cluster-expansion potential

Y Zhou, DF Toit, SR Elliott, W Zhang… - arxiv preprint arxiv …, 2025 - arxiv.org
Computer simulations have long been key to understanding and designing phase-change
materials (PCMs) for memory technologies. Machine learning is now increasingly being …